SCHEMBL2121855

SCHEMBL2121855

Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3ccc(C(F)(F)F)cc3n2)c(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.53
HCRTR2 O43614 20/20 0.53
TSPO P30536 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2120519 0.93 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2121815 0.89 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616572 0.87 HCRTR1 (0.57) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2120733 0.87 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2121401 0.86 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2123467 0.84 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616566 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2123419 0.83 HCRTR1 (0.63) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2120188 0.83 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616556 0.83 HCRTR1 (0.60) HCRTR1HCRTR2TSPOOPRK1HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 HCRTR1 2/4885HCRTR2 1/4885TSPO 339/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 HCRTR1 3720/4885HCRTR2 2843/4885TSPO 1832/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.